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Atomistic study of cleavage and dislocation emission in NiAl

Book ·
OSTI ID:78351
;  [1]
  1. Max-Planck-Inst. fuer Metallforschung, Stuttgart (Germany)

The atomistic processes during fracture of NiAl are studied using a new embedded atom (EAM) potential to describe the region near the crack tip. To provide the atomistically modeled crack tip region with realistic boundary conditions, a coupled finite element-atomistic (FEAt) technique is employed. In agreement with experimental observations, perfectly brittle cleavage is observed for the (110) crack plane. In contrast, cracks on the (100) plane either follow a zig-zag path on (110) planes, or emit dislocations. Dislocation generation is studied in more detail under mixed mode 1/2 loading conditions.

OSTI ID:
78351
Report Number(s):
CONF-941144--; ISBN 1-55899-265-0
Country of Publication:
United States
Language:
English

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